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Benzenamine, N-[(4-methoxyphenyl)methylene]-, (E)-, also known as N-(4-methoxybenzylidene)aniline, is an organic compound with the molecular formula C14H13NO. It exhibits a bright yellow to orange color and is widely used in the synthesis of dyes, pigments, polymers, and pharmaceuticals. The (E)configuration in its name signifies a trans double bond, which influences its chemical properties and reactivity.

1613-96-3

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1613-96-3 Usage

Uses

Used in Dye and Pigment Industry:
Benzenamine, N-[(4-methoxyphenyl)methylene]-, (E)is used as a key intermediate in the synthesis of various dyes and pigments, providing vibrant colors and enhancing the stability of these compounds.
Used in Polymer Production:
Benzenamine, N-[(4-methoxyphenyl)methylene]-, (E)is utilized in the production of polymers, contributing to the development of materials with improved properties and performance.
Used in Pharmaceutical Manufacturing:
Benzenamine, N-[(4-methoxyphenyl)methylene]-, (E)serves as an intermediate in the manufacturing of pharmaceuticals, playing a crucial role in the synthesis of various medicinal compounds.
Used in Organic Synthesis:
It is employed in organic synthesis as a reactant in chemical reactions, enabling the creation of a wide range of other compounds for various applications.

Check Digit Verification of cas no

The CAS Registry Mumber 1613-96-3 includes 7 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 4 digits, 1,6,1 and 3 respectively; the second part has 2 digits, 9 and 6 respectively.
Calculate Digit Verification of CAS Registry Number 1613-96:
(6*1)+(5*6)+(4*1)+(3*3)+(2*9)+(1*6)=73
73 % 10 = 3
So 1613-96-3 is a valid CAS Registry Number.

1613-96-3SDS

SAFETY DATA SHEETS

According to Globally Harmonized System of Classification and Labelling of Chemicals (GHS) - Sixth revised edition

Version: 1.0

Creation Date: Aug 18, 2017

Revision Date: Aug 18, 2017

1.Identification

1.1 GHS Product identifier

Product name (E)-N-(4-methoxybenzylidene)aniline

1.2 Other means of identification

Product number -
Other names -

1.3 Recommended use of the chemical and restrictions on use

Identified uses For industry use only.
Uses advised against no data available

1.4 Supplier's details

1.5 Emergency phone number

Emergency phone number -
Service hours Monday to Friday, 9am-5pm (Standard time zone: UTC/GMT +8 hours).

More Details:1613-96-3 SDS

1613-96-3Relevant academic research and scientific papers

Effects of molecular conformation on the spectroscopic properties of 4,4′-disubstituted benzylideneanilines

Fang, Zhengjun,Wu, Feng,Yi, Bing,Cao, Chenzhong,Xie, Xin

, p. 52 - 57 (2016)

The relationship between the molecular conformation and spectroscopic properties of unsymmetrical 4,4′-disubstituted benzylideneanilines, was explored by the combination of experiment and reference data. Crystal structure information and spectroscopic beh

Insight into the Modes of Activation of Pyridinium and Bipyridinium Salts in Non-Covalent Organocatalysis

Weiss, Robin,Golisano, Tamara,Pale, Patrick,Mamane, Victor

supporting information, p. 4779 - 4788 (2021/09/06)

A series of pyridinium and bipyridinium salts were prepared and their catalytic properties were evaluated in the aza-Diels-Alder reaction between imines and Danishefsky diene. Depending on the substituents of the pyridinium/bipyridinium rings and on the nature of the counterion, two mechanisms of activation were demonstrated. In case of non-substituted rings, the substrate is activated through charge transfer involving the aryl ring on the C-side of the imine. When halogen atoms were introduced on the catalysts, the activation mode switched to halogen bond involving the imine nitrogen lone pair. Moreover, alternative activation modes based on hydrogen bonding and radical cation were ruled out. This work allowed us to develop two families of catalysts whose potential was demonstrated in the cycloaddition of various imines with Danishefsky diene. The first family is composed of the simple methyl pyridinium triflate and dioctyl bipyridinium triflate. The former is active only with imines bearing a p-methoxyphenyl group on the C-side and the latter was found to be efficient with imines bearing different substituents on both the N- and C-sides of the imines. The second family is based on halogenated pyridinium salts which proved active with almost all considered imines. (Figure presented.).

Nickel Complexes Bearing N,N,O-Tridentate Salicylaldiminato Ligand: Efficient Catalysts for Imines Formation via Dehydrogenative Coupling of Primary Alcohols with Amines

Han, Zhangang,Hao, Zhiqiang,Lin, Jin,Lu, Guo-Liang,Zhang, Junhua,Zhang, Xiaoying

, p. 3843 - 3853 (2021/11/18)

Treatment of salicylaldiminato ligand L1H-L2H (L1H = 2,4-di-tert-butyl-6-((quinolin-8-ylimino)methyl)phenol; L2H = 2,4-di-tert-butyl-6-(((2-(diethylamino)ethyl)imino)methyl)phenol) with Ni(OAc)2·4H2O in refluxing ethanol afforded nickel complexes [(L1)Ni(OAc)] (1) and [(L2)Ni(OAc)] (2), respectively. Reaction of L3H (L3H = (2,4-di-tert-butyl-6-(((2-(pyridin-2-yl)ethyl)imino)methyl)phenol)) with Ni(OAc)2·4H2O in the presence of excess triethylanmine gave the dual ligands coordinated nickel complex [(L2)2Ni] (3). Complexes 1-3 were well characterized by high-resolution mass spectrometry, infrared spectroscopy, elemental analysis, and X-ray diffraction analysis. All the three Ni(II) complexes exhibited efficient activity and good selectivity in the acceptorless dehydrogenative coupling of alcohols and amines to produce imines and diimines. The present protocol provides an atom-economical and sustainable route for the synthesis of various imine derivatives by employing an earth-abundant nickel salt and easily prepared salicylaldiminato ligands.

Cooperative catalysis of molybdenum with organocatalysts for distribution of products between amines and imines

Wu, Di,Bu, Qingqing,Guo, Cheng,Dai, Bin,Liu, Ning

, (2021/02/02)

Multi-amino groups and nitrogen donors compound was discovered as an organocatalyst for N-alkylation of alcohols with amines in the presence of Mo(CO)6. The Mo(CO)6/organocatalyst binary system has shown to be a highly active catalyst for the N-alkylation reaction between alcohols and amines with excellent tolerance of variable starting materials bearing different functional groups. Of particular note, this method possessing a superiority selectivity in the synthesis of N-alkylated amines or imines, which can be controlled by the reaction temperature. The cooperative catalysis mechanism in combination of Mo(CO)6 with organocatalyst was elucidated by control experiments.

Synthesis and Reactivity of Fluorinated Triaryl Aluminum Complexes

Ould, Darren M. C.,Carden, Jamie L.,Page, Rowan,Melen, Rebecca L.

supporting information, p. 14891 - 14898 (2020/10/02)

The addition of the Grignard 3,4,5-ArFMgBr to aluminum(III) chloride in ether generates the novel triarylalane Al(3,4,5-ArF)3·OEt2. Attempts to synthesize this alane via transmetalation from the parent borane with trimethylaluminum gave a dimeric structure with bridging methyl groups, a product of partial transmetalation. On the other hand, the novel alane Al(2,3,4-ArF)3 was synthesized from the parent borane and trimethylaluminum. Interestingly, the solid-state structure of Al(2,3,4-ArF)3 shows an extended chain structure resulting from neighboring Al···F contacts. Al(3,4,5-ArF)3·OEt2 was then found to be an effective catalyst for the hydroboration of carbonyls, imines, and alkynes with pinacolborane.

Ruthenium N-Heterocyclic Carbene Complexes for Chemoselective Reduction of Imines and Reductive Amination of Aldehydes and Ketones

Kathuria, Lakshay,Samuelson, Ashoka G.

supporting information, (2020/06/17)

Chemoselective reduction of imines to secondary amines is catalyzed efficiently by tethered and untethered, half-sandwich ruthenium N-heterocyclic carbene (NHC) complexes at room temperature. The untethered Ru-NHC complexes are more efficient as catalysts for the reduction of aldimines and ketimines than the tethered complexes. Using the best untethered complex as a catalyst, electronic and steric demands on the reaction was probed using a series of imines. Chemoselectivity of the catalyst towards imine reduction was tested by performing inter and intramolecular competitive reactions in a variety of ways. The catalyst exhibits a very high TON and TOF under anaerobic conditions.

A Highly Selective Manganese-Catalyzed Synthesis of Imines under Phosphine-Free Conditions

Chai, Huining,Yu, Kun,Liu, Bo,Tan, Weiqiang,Zhang, Guangyao

, p. 217 - 226 (2020/01/31)

An efficient and highly selective phosphine-free NN-manganese(I) complex catalyst system was developed for the acceptorless dehydrogenative coupling of alcohols with amines to form imines. The coupling reactions underwent at 3 mol % catalyst loading, and a large range of alcohols and amines with diverse functional groups was applied, including challenging diol and diamine. The target imine products were obtained in good to excellent yields. The present work provides an alternative method to construct highly active nonprecious metal complex catalysts based on phosphine-free ligands.

Halo-1,2,3-triazolium salts as halogen bond donors for the activation of imines in dihydropyridinone synthesis

Kaasik, Mikk,Metsala, Andrus,Kaabel, Sandra,Kriis, Kadri,J?rving, Ivar,Kanger, Tonis

, p. 4295 - 4303 (2019/03/29)

In the past decade halogen bond (XB) catalysis has gained considerable attention. Halo-triazoles are known XB donors, yet few examples detail their use as catalysts. As a continuation of our previous work the catalytic properties of substituted enantiomerically pure halo-triazolium salts were explored in the reaction between an imine and Danishefsky's diene leading to the formation of dihydropyridinone. The catalytic activity of the XB donors was highly dependent on the choice of the halogen atom and on the counterion. Also, it was found that impurities in the diene affected the rate of the reaction.

Improving C=N bond reductions with (Cyclopentadienone)iron complexes: Scope and limitations

Cettolin, Mattia,Bai, Xishan,Lübken, Dennis,Gatti, Marco,Facchini, Sofia Vailati,Piarulli, Umberto,Pignataro, Luca,Gennari, Cesare

supporting information, p. 647 - 654 (2018/10/24)

Herein, we broaden the application scope of (cyclo-pentadienone)iron complexes 1 in C=N bond reduction. The catalytic scope of pre-catalyst 1b, which is more active than the “Kn?lker complex” (1a) and other members of its family, has been expanded to the catalytic transfer hydrogenation (CTH) of a wider range of aldimines and ketimines, either pre-isolated or generated in situ. The kinetics of 1b-promoted CTH of ketimine S1 were assessed, showing a pseudo-first order profile, with TOF = 6.07 h–1 at 50 % conversion. Moreover, the chiral complex 1c and its analog 1d were employed in the enantioselective reduction of ketimines and reductive amination of ketones, giving fair to good yields and moderate enantioselectivity.

Nucleophilic Imines and Electrophilic o-Quinone Methides, a Three-Component Assembly of Assorted 3,4-Dihydro-2 H-1,3-benzoxazines

Chen, Peishan Kc,Wong, Yuk Fai,Yang, Derek,Pettus, Thomas R. R.

supporting information, p. 7746 - 7749 (2019/10/11)

A one-pot method for joining three separate components leading to an assortment of N-substituted 3,4-dihydro-2H-1,3-benzoxazines is described. The method involves the addition of a Grignard reagent to an o-OBoc salicylaldehyde in the presence of an imine. With a variety of components, 15 examples are presented, including the diastereoselective incorporation of chiral imines.

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